2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide

C15H22N2O3S — CID 83063260

IUPAC2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccccc2S(=O)(=O)CC)CCCN1
InChIInChI=1S/C15H22N2O3S/c1-3-15(10-7-11-16-15)14(18)17-12-8-5-6-9-13(12)21(19,20)4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3,(H,17,18)
InChIKeyOKCVVZKTMVCTES-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.95
Rot. Bonds5

About 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide

2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide (PubChem CID 83063260) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
PubChem CID83063260
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccccc2S(=O)(=O)CC)CCCN1
InChIInChI=1S/C15H22N2O3S/c1-3-15(10-7-11-16-15)14(18)17-12-8-5-6-9-13(12)21(19,20)4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3,(H,17,18)
InChIKeyOKCVVZKTMVCTES-UHFFFAOYSA-N
XLogP1.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
2-ethyl-N-(2-methyl-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83065203
2-ethyl-N-(2-methylquinolin-8-yl)pyrrolidine-2-carboxamide
CID 83063118
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83079723
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 83071800
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107265136
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide (CID 83063260) is 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccccc2S(=O)(=O)CC)CCCN1.
What is the InChIKey of 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OKCVVZKTMVCTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-15(10-7-11-16-15)14(18)17-12-8-5-6-9-13(12)21(19,20)4-2/h5-6,8-9,16H,3-4,7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83063260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).